(2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one

C15H10O3 — CID 642383

IUPAC(2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccccc2O)Oc2ccccc21
InChIInChI=1S/C15H10O3/c16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14/h1-9,16H/b14-9-
InChIKeyTVCLXWLVYCIOMW-ZROIWOOFSA-N
MW238.24 g/mol
LogP3.01
Rot. Bonds1

About (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 642383) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID642383
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name(2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccccc2O)Oc2ccccc21
InChIInChI=1S/C15H10O3/c16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14/h1-9,16H/b14-9-
InChIKeyTVCLXWLVYCIOMW-ZROIWOOFSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one (CID 642383) is (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccccc2O)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is TVCLXWLVYCIOMW-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H10O3/c16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14/h1-9,16H/b14-9-.
What are the key properties of (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 238.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 642383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).